4-(4-Ethylanilino)-4-oxo-2-butenoic acid
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Basic information
- CAS
324067-34-7- Standard SMILES
CCc1ccc(NC(=O)C=CC(=O)O)cc1- InChIKey
GYUHORVVZJAIKQ-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
Names & identifiers
- Preferred name
- 4-(4-Ethylanilino)-4-oxo-2-butenoic acid
- IUPAC
- 4-(4-ethylanilino)-4-oxobut-2-enoic acid
- English name
- 4-((4-Ethylphenyl)aMino)-4-oxobut-2-enoic acid
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.24
Names & synonyms
4-(4-ethylanilino)-4-oxo-2-butenoic acid324067-34-74-(4-ethylanilino)-4-oxobut-2-enoic acid4-((4-Ethylphenyl)amino)-4-oxobut-2-enoic acid3-(N-(4-ethylphenyl)carbamoyl)prop-2-enoic acidBionet2_000431SCHEMBL2462042AKOS030244334FE168922FE1825614-(4-ethylanilino)-4-oxo-but-2-enoic acid3-[(4-ETHYLPHENYL)CARBAMOYL]PROP-2-ENOIC ACID
Show more names
4'-ETHYLMALEANILIC ACID4'-ETHYLMALEANILIC ACID2-Butenoic acid, 4-[(4-ethylphenyl)amino]-4-oxo-(2Z)-3-[(4-ethylphenyl)carbamoyl]prop-2-enoic acid
Database identifiers
- CAS
324067-34-7
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 448 · 448.0±45.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.48 · 3.48±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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